(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H16N4O5S MolecularWeight: 376.38704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC#N

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC#N

InChI

InChI=1S/C16H16N4O5S/c1-11(19)14(9-18)15(21)10-25-16(22)12-3-5-13(6-4-12)26(23,24)20-8-2-7-17/h3-6,14,19-20H,2,8,10H2,1H3